Charge: 1
Inchi:1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/q+1
Electronic States
Energy
(eV)
-461.99787
Description
S0
Multiplicity
1
Is Minimum
yes
Symmetry Group
C2v
Symmetry Elements
E
C2(z)
sigmav(xz)
sigmav(yz)
Rotational Constants
(cm-1)
0.04750 b
(cm-1)
0.03894 c
(cm-1)
0.02157
Dipole Moments
mu_x(Debye)
0.00002 mu_y
(Debye)
0.00000 mu_z
(Debye)
-0.19779
Vibration Analisys
Harmonic:
link
Anharmonic:
None
Vibration Analisis Harmonic
Diff mu X
(Debye)
0.00000
Diff mu Y
(Debye)
0.00000
Diff mu Z
(Debye)
2.52600
Eigenvectors
#
X
Y
Z
1
0.00000
0.00000
-0.05834
2
0.00000
0.00000
0.02461
3
0.05639
0.00000
-0.00992
4
-0.05638
0.00000
-0.00991
5
0.05629
0.00000
0.00797
6
-0.05630
0.00000
0.00797
7
-0.01834
0.00000
0.03017
8
0.01833
0.00000
0.03017
9
-0.02785
0.00000
-0.03215
10
0.02785
0.00000
-0.03215
11
0.03443
0.00000
-0.01819
12
-0.03443
0.00000
-0.01818
13
-0.17061
0.00000
-0.00753
14
0.17062
0.00000
-0.00753
15
-0.03456
0.00000
0.05629
16
0.03456
0.00000
0.05629
17
-0.01029
0.00000
0.00308
18
0.01028
0.00000
0.00309
19
-0.22938
0.24127
0.20611
20
-0.22938
-0.24127
0.20611
21
0.22941
0.24129
0.20613
22
0.22941
-0.24129
0.20613